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Journal of the American Chemical Society
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September 23, 2014
The solvation structure of Mg ions in dichloro complex solutions from first-principles molecular dynamics and simulated X-ray absorption spectra
Liwen F Wan, David Prendergast
Physical Chemistry Chemical Physics : PCCP
|
August 19, 2015
Re-examining the Chevrel phase Mo6S8 cathode for Mg intercalation from an electronic structure perspective
Florian Thöle, Liwen F Wan, David Prendergast
Physical Chemistry Chemical Physics : PCCP
|
February 4, 2025
First-principles elucidation of defect-mediated Li transport in hexagonal boron nitride
Yilong Zhou, S O Kucheyev, Liwen F Wan
The Journal of Physical Chemistry Letters
|
February 18, 2022
First-Principles Elucidation of Initial Dehydrogenation Pathways in Mg(BH<sub>4</sub>)<sub>2</sub>
Liwen F Wan, Tom Autrey, Brandon C Wood
Physical Chemistry Chemical Physics : PCCP
|
September 21, 2018
Hybrid DFT investigation of the energetics of Mg ion diffusion in α-MoO<sub>3</sub>
Taylor A Barnes, Liwen F Wan, Paul R C Kent, et al.
Journal of Chemical Theory and Computation
|
April 20, 2026
Many-Body Benchmark of Electronic Charge and Spin Densities for Li<sub>1-<i>x</i></sub>NiO<sub>2</sub>
Abdul Ghaffar, Shenli Zhang, Liwen F Wan, et al.
Nano Letters
|
December 11, 2019
Hydroxyl-Assisted Phosphorene Stabilization with Robust Device Performances
Shancheng Yan, Haizeng Song, Liwen F Wan, et al.
The Journal of Chemical Physics
|
June 15, 2022
Flexible machine-learning interatomic potential for simulating structural disordering behavior of Li<sub>7</sub>La<sub>3</sub>Zr<sub>2</sub>O<sub>12</sub> solid electrolytes
Kwangnam Kim, Aniruddha Dive, Andrew Grieder, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 18, 2016
Revealing electronic structure changes in Chevrel phase cathodes upon Mg insertion using X-ray absorption spectroscopy
Liwen F Wan, Joshua Wright, Brian R Perdue, et al.
Science (New York, N.Y.)
|
October 25, 2014
Interfacial water. The structure of interfacial water on gold electrodes studied by x-ray absorption spectroscopy
Juan-Jesus Velasco-Velez, Cheng Hao Wu, Tod A Pascal, et al.
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of 3
Search research articles
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Showing results (1-10 of 29) with videos related to
Sort By:
Page
of 3
Journal of the American Chemical Society
|
September 23, 2014
The solvation structure of Mg ions in dichloro complex solutions from first-principles molecular dynamics and simulated X-ray absorption spectra
Liwen F Wan, David Prendergast
Physical Chemistry Chemical Physics : PCCP
|
August 19, 2015
Re-examining the Chevrel phase Mo6S8 cathode for Mg intercalation from an electronic structure perspective
Florian Thöle, Liwen F Wan, David Prendergast
Physical Chemistry Chemical Physics : PCCP
|
February 4, 2025
First-principles elucidation of defect-mediated Li transport in hexagonal boron nitride
Yilong Zhou, S O Kucheyev, Liwen F Wan
The Journal of Physical Chemistry Letters
|
February 18, 2022
First-Principles Elucidation of Initial Dehydrogenation Pathways in Mg(BH<sub>4</sub>)<sub>2</sub>
Liwen F Wan, Tom Autrey, Brandon C Wood
Physical Chemistry Chemical Physics : PCCP
|
September 21, 2018
Hybrid DFT investigation of the energetics of Mg ion diffusion in α-MoO<sub>3</sub>
Taylor A Barnes, Liwen F Wan, Paul R C Kent, et al.
Journal of Chemical Theory and Computation
|
April 20, 2026
Many-Body Benchmark of Electronic Charge and Spin Densities for Li<sub>1-<i>x</i></sub>NiO<sub>2</sub>
Abdul Ghaffar, Shenli Zhang, Liwen F Wan, et al.
Nano Letters
|
December 11, 2019
Hydroxyl-Assisted Phosphorene Stabilization with Robust Device Performances
Shancheng Yan, Haizeng Song, Liwen F Wan, et al.
The Journal of Chemical Physics
|
June 15, 2022
Flexible machine-learning interatomic potential for simulating structural disordering behavior of Li<sub>7</sub>La<sub>3</sub>Zr<sub>2</sub>O<sub>12</sub> solid electrolytes
Kwangnam Kim, Aniruddha Dive, Andrew Grieder, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 18, 2016
Revealing electronic structure changes in Chevrel phase cathodes upon Mg insertion using X-ray absorption spectroscopy
Liwen F Wan, Joshua Wright, Brian R Perdue, et al.
Science (New York, N.Y.)
|
October 25, 2014
Interfacial water. The structure of interfacial water on gold electrodes studied by x-ray absorption spectroscopy
Juan-Jesus Velasco-Velez, Cheng Hao Wu, Tod A Pascal, et al.
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of 3